3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2(1H)-one
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2(1H)-one
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0960 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2(1H)-one |
| Molecular Weight: | 404.85 |
| Molecular Formula: | C19 H14 Cl F N2 O3 S |
| Smiles: | C1COc2cc(ccc2O1)N1C=CN=C(C1=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 2.5741 |
| logD: | 2.5741 |
| logSw: | -3.1719 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.466 |
| InChI Key: | POLQCBXAYFXYJO-UHFFFAOYSA-N |